InChIKey: JACYEVOOTPTQAH-BSHJQCNLSA-N
CanonicalSMILES: O=C(CCOCCOCCO[C@H]1[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O1)NCCNC(CN(CC(NCCNC(CCOCCOCCO[C@H]2[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)=O)=O)CCN(CC(NCCNC(CCOCCOCCO[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3NC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)=O)=O)CCOCCOC(NCC(OC(CCC(O)=O)=O)COC(C4=CC=CC=C4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)=O)=O
IUPAC Name: 1-(((2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-16,19-bis(15-(((2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,7-dioxo-10,13-dioxa-3,6-diazapentadecyl)-29-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-9,14,26,31-tetraoxo-3,6,22,25,30-pentaoxa-10,13,16,19,27-pentaazatetratriacontan-34-oic acid
InChI: InChI=1S/C110H162N12O49/c1-68(123)118-97-103(165-77(10)132)100(162-74(7)129)86(65-158-71(4)126)169-106(97)154-56-52-151-49-46-147-42-30-89(135)111-33-36-114-92(138)61-121(41-45-150-55-59-157-109(144)117-60-85(168-96(143)29-28-95(141)142)64-161-110(80-18-16-15-17-19-80,81-20-24-83(145-13)25-21-81)82-22-26-84(146-14)27-23-82)39-40-122(62-93(139)115-37-34-112-90(136)31-43-148-47-50-152-53-57-155-107-98(119-69(2)124)104(166-78(11)133)101(163-75(8)130)87(170-107)66-159-72(5)127)63-94(140)116-38-35-113-91(137)32-44-149-48-51-153-54-58-156-108-99(120-70(3)125)105(167-79(12)134)102(164-76(9)131)88(171-108)67-160-73(6)128/h15-27,85-88,97-108H,28-67H2,1-14H3,(H,111,135)(H,112,136)(H,113,137)(H,114,138)(H,115,139)(H,116,140)(H,117,144)(H,118,123)(H,119,124)(H,120,125)(H,141,142)/t85?,86-,87-,88-,97-,98-,99-,100+,101+,102+,103-,104-,105-,106-,107-,108-/m1/s1
Synonyms: GalNAc-EDT-(2-AECA)-PEG2-DMT-Suc; Peracetylated-TG2-DMT-Suc; Tri-TG2(OAc)3-DMT-Suc; Tri-Gal(OAc)3 TG1-DMT-Suc